Chemical Properties of 2-Naphthalenecarboxaldehyde (CAS 66-99-9)

InChI

InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H

InChI Key

PJKVFARRVXDXAD-UHFFFAOYSA-N

Formula

C11H8O

SMILES

O=Cc1ccc2ccccc2c1

Molecular Weight¹

156.18

CAS

66-99-9

Other Names

• .beta.-naphthaldehyde
• 2-Formylnaphthalene
• 2-naphthaldehyde
• «beta»-Formylnaphthalene
• «beta»-Naphthaldehyde
• «beta»-Naphthylaldehyde
• «beta»-Naphthylcarboxaldehyde

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4647		Relay (1.0) Calculated Property
EA	[0.62; 0.64]	eV
EA	0.64 ± 0.10	eV	NIST
EA	0.62 ± 0.02	eV	NIST
EA	0.62 ± 0.04	eV	NIST
ΔfG°	151.65	kJ/mol	Joback Calculated Property
ΔfH°gas	31.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.21	kJ/mol	Joback Calculated Property
ΔvapH°	72.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-3.02		Relay (1.0) Calculated Property
logPoct/wat	2.652		Crippen Calculated Property
McVol	124.200	ml/mol	McGowan Calculated Property
Pc	3722.56	kPa	Joback Calculated Property
Inp	[257.90; 1468.00]
Inp	1468.00		NIST
Inp	258.20		NIST
Inp	259.10		NIST
Inp	257.90		NIST
Inp	258.20		NIST
Inp	1468.00		NIST
Inp	259.10		NIST
Ip	[2407.00; 2407.00]
Ip	2407.00		NIST
Ip	2407.00		NIST
Tboil	568.69	K	Relay (1.0) Calculated Property
Tc	856.85	K	Relay (1.0) Calculated Property
Tfus	[333.27; 334.65]	K
Tfus	333.27	K	Solubility Measurement and Correlation for 2- Naphthaldehyde in Pure Organic Solvents and Methanol + Ethanol Mixtures
Tfus	334.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.457	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.04; 365.26]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.67600e+01
Coefficient B			8.81200e-01
Coefficient C			-6.68480e-04
Coefficient D			1.99300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.04	J/mol×K	273.00	Calculated Property
Cp,gas	190.15	J/mol×K	353.78	Calculated Property
Cp,gas	226.29	J/mol×K	434.56	Calculated Property
Cp,gas	257.10	J/mol×K	515.33	Calculated Property
Cp,gas	283.21	J/mol×K	596.11	Calculated Property
Cp,gas	305.24	J/mol×K	676.89	Calculated Property
Cp,gas	323.83	J/mol×K	757.67	Calculated Property
Cp,gas	339.61	J/mol×K	838.44	Calculated Property
Cp,gas	353.21	J/mol×K	919.22	Calculated Property
Cp,gas	365.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016976; 0.0003995]	Pa×s	[333.96; 551.95]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.00420e+01
Coefficient B			1.22343e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			333.96
Temperature range, max.			551.95
η	0.0016976	Pa×s	333.96	Calculated Property
η	0.0013251	Pa×s	358.18	Calculated Property
η	0.0010673	Pa×s	382.40	Calculated Property
η	0.0008821	Pa×s	406.62	Calculated Property
η	0.0007448	Pa×s	430.84	Calculated Property
η	0.0006404	Pa×s	455.07	Calculated Property
η	0.0005590	Pa×s	479.29	Calculated Property
η	0.0004944	Pa×s	503.51	Calculated Property
η	0.0004422	Pa×s	527.73	Calculated Property
η	0.0003995	Pa×s	551.95	Calculated Property

Similar Compounds

Find more compounds similar to 2-Naphthalenecarboxaldehyde.

Mixtures

• 2-Naphthalenecarboxaldehyde + Phthalic anhydride + 1,4-Dioxane
• 2-Naphthalenecarboxaldehyde + 1,4-Dioxane
• 2-Naphthalenecarboxaldehyde + Ethyl Acetate
• 2-Naphthalenecarboxaldehyde + 4-Methylphthalic anhydride + Ethyl Acetate
• 2-Naphthalenecarboxaldehyde + Methyl Alcohol
• 2-Naphthalenecarboxaldehyde + Ethanol
• 2-Naphthalenecarboxaldehyde + 2-Propanol
• 2-Naphthalenecarboxaldehyde + 1-Butanol
• 2-Naphthalenecarboxaldehyde + Heptane
• n-Hexane + 2-Naphthalenecarboxaldehyde
• 2-Naphthalenecarboxaldehyde + Ethanol + Methyl Alcohol

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solid-liquid equilibrium and phase diagram for the ternary (2-naphthaldehyde + o-phthalic anhydride + 1,4-dioxane) system
• Solubility Measurement and Correlation for 2- Naphthaldehyde in Pure Organic Solvents and Methanol + Ethanol Mixtures
• Solid-Liquid Phase Equilibria of the Ternary System (2-Naphthaldehyde + 4-Methylphthalic Anhydride + Ethyl Acetate) at (288.15, 298.15, and 308.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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